CID 11954007

2,5-dichloro-carboxymethylenebut-2-en-4-olide

Structural Information

Molecular Formula
C6H2Cl2O4
SMILES
C\1=C(C(=O)O/C1=C(\C(=O)O)/Cl)Cl
InChI
InChI=1S/C6H2Cl2O4/c7-2-1-3(12-6(2)11)4(8)5(9)10/h1H,(H,9,10)/b4-3+
InChIKey
XJQKWSUIZRECMR-ONEGZZNKSA-N
Compound name
(2E)-2-chloro-2-(4-chloro-5-oxofuran-2-ylidene)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

207.93301 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.94029 135.3
[M+Na]+ 230.92223 145.5
[M-H]- 206.92573 138.4
[M+NH4]+ 225.96683 155.2
[M+K]+ 246.89617 142.2
[M+H-H2O]+ 190.93027 132.9
[M+HCOO]- 252.93121 147.5
[M+CH3COO]- 266.94686 177.8
[M+Na-2H]- 228.90768 137.5
[M]+ 207.93246 138.0
[M]- 207.93356 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.